Description

1-Trifluoroacetyl-4-Thiosemicarbazide is a specialized organofluorine building block that combines a reactive thiosemicarbazide moiety with a trifluoroacetyl group. This unique structure makes it a valuable intermediate for synthesizing novel heterocyclic compounds and functional materials with tailored properties. It is primarily sought by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for creating libraries of potential bioactive molecules and ligands.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel thiadiazole, triazole, and other nitrogen-sulfur heterocycles with potential biological activity.
• Agrochemical Research: Used to develop new fungicides, herbicides, and plant growth regulators by incorporating the trifluoromethyl group for enhanced metabolic stability and lipophilicity.
• Coordination Chemistry: Serves as a versatile ligand or ligand precursor for metal complexes in catalysis and materials science.
• Chemical Biology Probes: Employed in the design and synthesis of activity-based probes and molecular tags for studying enzyme mechanisms.
• Polymer Modification: Functional monomer for introducing fluorine and reactive hydrazine-like groups into polymer backbones to alter material properties.
• Cross-coupling Reagent: Utilized in palladium-catalyzed and other cross-coupling reactions to introduce the -NH-C(S)-NH-NH- scaffold.

Basic Information

Product Name	1-Trifluoroacetyl-4-Thiosemicarbazide
CAS No.	51321-51-8
Molecular Formula	C3H4F3N3OS
Molecular Weight	187.14 g/mol
Synonyms	4-Thiosemicarbazide, 1-(trifluoroacetyl)-; 1-(Trifluoroacetyl)thiosemicarbazide; N-(Aminocarbonothioyl)-2,2,2-trifluoroacetohydrazide; Trifluoroacetic acid thiosemicarbazide; TFATH; Thiosemicarbazide, N-trifluoroacetyl-; 2,2,2-Trifluoro-N'-(aminothioxomethyl)acetohydrazide
EINECS	Contact for details

Quality Control

Our production of 1-Trifluoroacetyl-4-Thiosemicarbazide adheres to stringent in-process controls to ensure batch-to-batch consistency and high purity. Every lot is characterized by modern analytical techniques including HPLC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	158 - 162 °C
Loss on Drying	≤ 1.0 %
Residue on Ignition	≤ 0.1 %

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.